(4S)-4-(3-ethoxy-4-oxidanyl-phenyl)-N-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4S)-4-(3-ethoxy-4-oxidanyl-phenyl)-N-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-4-(3-ethoxy-4-hydroxy-phenyl)-N-(3-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-4-(3-ethoxy-4-hydroxyphenyl)-N-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-4-(3-ethoxy-4-hydroxyphenyl)-N-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-4-(3-ethoxy-4-hydroxy-phenyl)-N-(3-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC(=CC=C3)OC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)NC3=CC(=CC=C3)OC)O

InChI

InChI=1S/C21H23N3O4S/c1-4-28-17-10-13(8-9-16(17)25)19-18(12(2)22-21(29)24-19)20(26)23-14-6-5-7-15(11-14)27-3/h5-11,19,25H,4H2,1-3H3,(H,23,26)(H2,22,24,29)/t19-/m0/s1